General Information of the Compound
| Compound ID |
CP0388138
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| Compound Name |
2-amino-8-fluoro-N-(quinolin-2-ylmethyl)quinazoline-4-carboxamide
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| Structure |
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| Formula |
C19H14FN5O
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| Molecular Weight |
347.353
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| Canonical SMILES |
Nc1nc(C(=O)NCc2ccc3ccccc3n2)c2cccc(F)c2n1
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| InChI |
InChI=1S/C19H14FN5O/c20-14-6-3-5-13-16(14)24-19(21)25-17(13)18(26)22-10-12-9-8-11-4-1-2-7-15(11)23-12/h1-9H,10H2,(H,22,26)(H2,21,24,25)
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| InChIKey |
LADJNJVHQNUVQZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a